2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide

C15H17ClN2O — CID 110721086

IUPAC2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide
SMILESC1=CN(C=C1)CCCNC(=O)CC2=CC(=CC=C2)Cl
InChIInChI=1S/C15H17ClN2O/c16-14-6-3-5-13(11-14)12-15(19)17-7-4-10-18-8-1-2-9-18/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,17,19)
InChIKeyCQXZXVUWGKKEEV-UHFFFAOYSA-N
MW276.76 g/mol
LogP2.50
Rot. Bonds6

About 2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide

2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide (PubChem CID 110721086) has the molecular formula C15H17ClN2O and a molecular weight of 276.76 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide
PubChem CID110721086
Molecular FormulaC15H17ClN2O
Molecular Weight276.76 g/mol
Exact Mass276.10
IUPAC Name2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide
SMILESC1=CN(C=C1)CCCNC(=O)CC2=CC(=CC=C2)Cl
InChIInChI=1S/C15H17ClN2O/c16-14-6-3-5-13(11-14)12-15(19)17-7-4-10-18-8-1-2-9-18/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,17,19)
InChIKeyCQXZXVUWGKKEEV-UHFFFAOYSA-N
XLogP2.50
TPSA34.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity279

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Norcotinine
CID 413
3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 871256
N-[(3-chlorophenyl)methyl]pyridine-4-carboxamide
CID 1245725
Demethylcotinine
CID 92223
2-(2-chloro-6-fluorophenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 839135
4-(4-chlorophenyl)-N-(3-pyridinylmethyl)cyclohexanecarboxamide
CID 2815214
4-(4-chlorophenyl)-N-(4-pyridinylmethyl)cyclohexanecarboxamide
CID 2815215
(2-chlorophenyl)[4-(1H-pyrrol-1-yl)piperidino]methanone
CID 2822453
2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 2971027
N-cycloheptyl-3-phenyl-2-(1H-pyrrol-1-yl)propanamide
CID 16194113
2-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 16250036
N-(3-chlorobenzyl)-3-(1-methyl-1H-indol-3-yl)propanamide
CID 20899770

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide (CID 110721086) is 2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide is C1=CN(C=C1)CCCNC(=O)CC2=CC(=CC=C2)Cl.
What is the InChIKey of 2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide?
The InChIKey is CQXZXVUWGKKEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c16-14-6-3-5-13(11-14)12-15(19)17-7-4-10-18-8-1-2-9-18/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,17,19).
What are the key properties of 2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide?
2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide has a molecular weight of 276.76 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide is sourced from PubChem (CID 110721086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).